SCHEMBL3049215

SCHEMBL3049215

Cc1cccc(C)c1OCS

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN4A P35499 10/20 0.52
▸ LMNA P02545 2/20 0.52
▸ SCN1A P35498 2/20 0.52
▸ SCN5A Q14524 2/20 0.52
▸ SCN9A Q15858 2/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ NFKB1 P19838 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ SCN8A Q9UQD0 2/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ KCNK3 O14649 1/20 0.52
▸ CACNA1F O60840 1/20 0.52
▸ KCNK2 O95069 1/20 0.52
▸ GBA1 P04062 1/20 0.52
▸ MAOA P21397 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ HTR2B P41595 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL293013 0.80 SCN4A (0.52) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL22696387 0.79 SCN4A (0.56) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL147753 0.77 SCN4A (0.54) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL2094083 0.77 SCN4A (0.54) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL6481244 0.76 ALDH1A1 (0.50) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL3036960 0.75 SCN4A (0.52) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL2094086 0.75 SCN4A (0.52) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL287638 0.75 SCN4A (0.52) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL18727141 0.75 SCN4A (0.52) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL6470644 0.75 ALDH1A1 (0.53) SCN4ALMNASCN1ASCN5ASCN9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470861-B2 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER (US) 2013-06-25 — — US disclosed
US-20100168198-A1 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER 2010-07-01 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100168198-A1 Mitochondria-targeted antioxidant prodrugs and methods of use TXNRD2, HADHA, PRDX5 SCN4A 3569/4885LMNA 2194/4885SCN1A 3850/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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